SCHEMBL2998909

SCHEMBL2998909

O=C(Nc1cccnc1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.47
PDE4B Q07343 7/20 0.47
PDE4C Q08493 7/20 0.47
PDE4D Q08499 7/20 0.47
FAAH O00519 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NAMPT P43490 1/20 0.40
RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3106075 0.94 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL3005474 0.91 FAAH (0.55) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL3001646 0.90 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3001313 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4098720 0.89 FAAH (0.49) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL3004867 0.89 MEN1 (0.53) FAAHMEN1KMT2A
SCHEMBL3003759 0.88 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL3002308 0.88 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL3005706 0.88 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL4099768 0.88 MEN1 (0.45) FAAHMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PDE4A 1448/4885PDE4B 1689/4885PDE4C 2350/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PDE4A 625/4885PDE4B 664/4885PDE4C 1114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.